Streptovaricin B
Basic information
- CAS
11031-82-6- Standard SMILES
COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)/C(C)=C/[C@@](C)(O)[C@H](O)[C@@H](C)[C@H]1OC(C)=O- InChIKey
IGDMPTXQUGESNO-LCPUKSDXSA-N- Molecular formula
- C42H53NO15
- Average molar mass
- 811.9 g/mol
- Monoisotopic mass
- 811.34151998
Names & identifiers
- Preferred name
- Streptovaricin B
- IUPAC
- methyl (7E,9Z,11R,12R,13R,14R,15R,16R,17R,18R,19R,20E)-2,16-diacetyloxy-12,14,18,19,31-pentahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,28-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,29(31)-octaene-15-carboxylate
Names & synonyms
Streptovaricin B11031-82-6UNII-HB3SF5PG1DHB3SF5PG1DStreptovaricinoic acid, methyl ester, 21-acetateNSC 156215NSC 189794STREPTOVARICIN B [MI]DTXSID001016951NSC-156215NSC-189794RefChem:185988
Show more names
DTXCID201475137NSC189794Q27279829Methyl (12E,14Z,16R,17R,18R,19R,20R,21R,22R,23R,24R,25E)-7,21-bis(acetyloxy)-17,19,23,24,27-pentahydroxy-4,8,12,16,18,22,24,26-octamethyl-5,11-dioxo-5,10,11,16,17,18,19,20,21,22,23,24-dodecahydro-2H-6,9-(metheno)[1,3]dioxino[4,5,6-uv][4]benzazacyclotricosine-20-carboxylate
Database identifiers
- CAS
11031-82-6- PubChem CID
- 135410125
- DTXSID
DTXSID001016951- UNII
- HB3SF5PG1D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…